5FZZ
CRYSTAL STRUCTURE OF POTATO STI-KUNITZ BI-FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P22121 AND PH 7.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-17 |
| Detector | MARRESEARCH MARMOSAIC |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.580, 56.450, 72.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.787 - 2.550 |
| R-factor | 0.1843 |
| Rwork | 0.181 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fnw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.163 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.600 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.060 | 0.240 |
| Number of reflections | 6643 | |
| <I/σ(I)> | 21.69 | 8.08 |
| Completeness [%] | 98.0 | 75.8 |
| Redundancy | 7.73 | 8.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% (W/V) PEG 3350, 0.1 M TRIS-HCL PH 7.0, 0.2 M CACL2 |
